[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CCC4=CSC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CCC4=CSC=C4

InChI

InChI=1S/C20H26N2O4S/c23-17(11-26-18(24)2-1-13-3-4-27-12-13)21-19(25)22-20-8-14-5-15(9-20)7-16(6-14)10-20/h3-4,12,14-16H,1-2,5-11H2,(H2,21,22,23,25)